Geometry & MOs

Info

ID:	227108
PubChem CID:	87560204
Reduced:	PH24C29 (1)
Stoich.:	AB24C29 (1)
Weight, g/mol:	327.361348
ΔH_f, kcal/mol:	113.85
Dipole, Da:	7.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.308817
Charge, e:	0

Chem-info

IUPAC name:

8-N-(10-aminodecan-3-yl)decane-1,8-diamine

Drug info:

PubChemData

Smile

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations